Home Forums density functional theory XC-functional Jacob’s ladder

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    Joachim Scheerlinck
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    The ultimate goal is the divine functional, a exchange correlation functional that perfectly describes many-body and quantum effects. There are numerous ways at how to do this. Jacob’s ladder starts with the simplest inclusions and ends with the most complex inclusions. Jacob’s ladder is:

    LDA: only local electron density
    GGA: LDA with gradient correction
    Hybrid: GGA with exact exchange term
    Meta-GGA: GGA with improved gradient correction (+ kinetic energy density)

    Note that this ladder, in going down, also increases in computational cost, with LDA being the least costly.

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